| SpectraBase Compound ID | 2ClCPPC6SaC |
|---|---|
| InChI | InChI=1S/C17H22O4/c1-9-5-6-15(20-11(3)18)17(4)8-14-12(7-13(9)17)10(2)16(19)21-14/h12-15H,1-2,5-8H2,3-4H3/t12-,13+,14-,15-,17-/m1/s1 |
| InChIKey | JLNFWGXLDMNIGM-JRBZFYFNSA-N |
| Mol Weight | 290.36 g/mol |
| Molecular Formula | C17H22O4 |
| Exact Mass | 290.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HARM4IwNT6a |
|---|---|
| Name | Asperilin, ac derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.151809184 u |
| Formula | C17H22O4 |
| InChI | InChI=1S/C17H22O4/c1-9-5-6-15(20-11(3)18)17(4)8-14-12(7-13(9)17)10(2)16(19)21-14/h12-15H,1-2,5-8H2,3-4H3/t12-,13+,14-,15-,17-/m1/s1 |
| InChIKey | JLNFWGXLDMNIGM-JRBZFYFNSA-N |
| SMILES | [C@]12(OC(C([C@]2(C[C@@]2([C@](C1)(C)[C@@](CCC2=C)(OC(=O)C)[H])[H])[H])=C)=O)[H] |